L834-1076 Screening compound: 6-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

L834-1076 Screening compound: 6-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
L834-1076 Screening compound: 6-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-1076
6-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L834-1076

Molecular Formula

C22H23N3O5S (C22 H23 N3 O5 S)

Compound Name

6-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{5-[2-(4-methylbenzenesulfonyl)ethyl]-124-oxadiazol-3-yl}-4-propyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCCN1c(cc(cc2)-c3noc(CCS(c4ccc(C)cc4)(=O)=O)n3)c2OCC1=O

InChI

InChI=1S/C22H23N3O5S/c1-3-11-25-18-13-16(6-9-19(18)29-14-21(25)26)22-23-20(30-24-22)10-12-31(27,28)17-7-4-15(2)5-8-17/h4-9,13H,3,10-12,14H2,1-2H3

InChI Key

IMDCFYOLFSBZKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-3.90

Polar Surface Area

84.426

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L834-1076 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L834-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1076?
Check Price and Availability of L834-1076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L834-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1076
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L834-1076 available by request